Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate
TL;DR: Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate (CAS 1008945-27-4) is a chemical compound with molecular formula C14H14Cl2N2O4 and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
Also Known As: Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate, Methyl [1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate, methyl 2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
| Molecular Formula | C14H14Cl2N2O4 |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | 1.4971 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.03305 |
| Heavy Atoms | 22 |
| Complexity | 600.6104 |
Chemical Identifiers
| CAS Number | 1008945-27-4 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC(=C2)Cl)Cl |
Product Overview
Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate (CAS 1008945-27-4), with molecular formula C14H14Cl2N2O4 and molecular weight 344.03 g/mol. IUPAC: methyl 2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate
Property Insights of Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate
The XLogP value of 1.4971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate. Following Lipinski's Rule of Five, Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate?
The CAS number of Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate is 1008945-27-4.
What is the molecular formula of Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate?
The molecular formula of Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate is C14H14Cl2N2O4.
What is the molecular weight of Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate?
The molecular weight of Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate is 344.03 g/mol.
Where can I buy Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate?
You can request a quote for Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(3,5-dichlorobenzoyl)-3-oxo-2-piperazineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.